1-chloro-2-[ethyl(methoxy)phosphoryl]ethane

C5H12ClO2P — CID 176551504

IUPAC1-chloro-2-[ethyl(methoxy)phosphoryl]ethane
SMILESCCP(=O)(CCCl)OC
InChIInChI=1S/C5H12ClO2P/c1-3-9(7,8-2)5-4-6/h3-5H2,1-2H3
InChIKeyGBIDRWMUQWTAHW-UHFFFAOYSA-N
MW170.58 g/mol
LogP2.17
Rot. Bonds4

About 1-chloro-2-[ethyl(methoxy)phosphoryl]ethane

1-chloro-2-[ethyl(methoxy)phosphoryl]ethane (PubChem CID 176551504) has the molecular formula C5H12ClO2P and a molecular weight of 170.58 g/mol. Its IUPAC name is 1-chloro-2-[ethyl(methoxy)phosphoryl]ethane.

Molecular Properties

Compound Name1-chloro-2-[ethyl(methoxy)phosphoryl]ethane
PubChem CID176551504
Molecular FormulaC5H12ClO2P
Molecular Weight170.58 g/mol
Exact Mass170.03
IUPAC Name1-chloro-2-[ethyl(methoxy)phosphoryl]ethane
SMILESCCP(=O)(CCCl)OC
InChIInChI=1S/C5H12ClO2P/c1-3-9(7,8-2)5-4-6/h3-5H2,1-2H3
InChIKeyGBIDRWMUQWTAHW-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.58
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[ethyl(methoxy)phosphoryl]ethane?
The IUPAC name of 1-chloro-2-[ethyl(methoxy)phosphoryl]ethane (CID 176551504) is 1-chloro-2-[ethyl(methoxy)phosphoryl]ethane.
What is the SMILES notation for 1-chloro-2-[ethyl(methoxy)phosphoryl]ethane?
The canonical SMILES for 1-chloro-2-[ethyl(methoxy)phosphoryl]ethane is CCP(=O)(CCCl)OC.
What is the InChIKey of 1-chloro-2-[ethyl(methoxy)phosphoryl]ethane?
The InChIKey is GBIDRWMUQWTAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClO2P/c1-3-9(7,8-2)5-4-6/h3-5H2,1-2H3.
What are the key properties of 1-chloro-2-[ethyl(methoxy)phosphoryl]ethane?
1-chloro-2-[ethyl(methoxy)phosphoryl]ethane has a molecular weight of 170.58 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[ethyl(methoxy)phosphoryl]ethane is sourced from PubChem (CID 176551504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).